Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31394524 | 0.87 | SLC6A4 (0.39) | BACE1LMNAMAPTHTTBLM | |
| SCHEMBL31515349 | 0.85 | KDM1A (0.40) | LMNAMAPTHTTBLMKDM1A | |
| SCHEMBL30954718 | 0.82 | LMNA (0.41) | BACE1LMNAMAPTHTTBLM | |
| SCHEMBL30954699 | 0.81 | KDM1A (0.38) | BACE1KDM1ACMA1AHR | |
| SCHEMBL23705009 | 0.81 | BACE1 (0.37) | BACE1LMNAMAPTHTTBLM | |
| SCHEMBL25866228 | 0.80 | PNMT (0.37) | BACE1KDM1ACMA1AHRTDP2 | |
| SCHEMBL30954707 | 0.77 | BACE1 (0.39) | BACE1KDM1ACMA1AHRSLC6A4 | |
| SCHEMBL18373201 | 0.77 | HTR2C (0.40) | KDM1ACMA1AHRTDP2 | |
| SCHEMBL25866229 | 0.77 | BRD4 (0.34) | BACE1MAPTKDM1ASLC6A4 | |
| SCHEMBL17586458 | 0.76 | OPRD1 (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |